phenyl-(4-phenylmethoxyquinolin-2-yl)methanone

C23H17NO2 — CID 21478950

IUPACphenyl-(4-phenylmethoxyquinolin-2-yl)methanone
SMILESO=C(c1ccccc1)c1cc(OCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H17NO2/c25-23(18-11-5-2-6-12-18)21-15-22(19-13-7-8-14-20(19)24-21)26-16-17-9-3-1-4-10-17/h1-15H,16H2
InChIKeyQNAOXSOQUCDTQR-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.04
Rot. Bonds5

About phenyl-(4-phenylmethoxyquinolin-2-yl)methanone

phenyl-(4-phenylmethoxyquinolin-2-yl)methanone (PubChem CID 21478950) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is phenyl-(4-phenylmethoxyquinolin-2-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-phenylmethoxyquinolin-2-yl)methanone
PubChem CID21478950
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Namephenyl-(4-phenylmethoxyquinolin-2-yl)methanone
SMILESO=C(c1ccccc1)c1cc(OCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H17NO2/c25-23(18-11-5-2-6-12-18)21-15-22(19-13-7-8-14-20(19)24-21)26-16-17-9-3-1-4-10-17/h1-15H,16H2
InChIKeyQNAOXSOQUCDTQR-UHFFFAOYSA-N
XLogP5.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
CID 142907394
6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid
CID 102152725
methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
CID 53112962
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
(4-phenylmethoxyquinolin-2-yl)methanamine
CID 63377220
4,8-bis(phenylmethoxy)quinoline-2-carboxamide
CID 71567698
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 3465624
4-(2-carboxyethoxy)quinoline-2-carboxylic acid
CID 15166978
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
(3-ethylphenyl)-(4-methylquinolin-2-yl)methanone
CID 114754714

Frequently Asked Questions

What is the IUPAC name of phenyl-(4-phenylmethoxyquinolin-2-yl)methanone?
The IUPAC name of phenyl-(4-phenylmethoxyquinolin-2-yl)methanone (CID 21478950) is phenyl-(4-phenylmethoxyquinolin-2-yl)methanone.
What is the SMILES notation for phenyl-(4-phenylmethoxyquinolin-2-yl)methanone?
The canonical SMILES for phenyl-(4-phenylmethoxyquinolin-2-yl)methanone is O=C(c1ccccc1)c1cc(OCc2ccccc2)c2ccccc2n1.
What is the InChIKey of phenyl-(4-phenylmethoxyquinolin-2-yl)methanone?
The InChIKey is QNAOXSOQUCDTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c25-23(18-11-5-2-6-12-18)21-15-22(19-13-7-8-14-20(19)24-21)26-16-17-9-3-1-4-10-17/h1-15H,16H2.
What are the key properties of phenyl-(4-phenylmethoxyquinolin-2-yl)methanone?
phenyl-(4-phenylmethoxyquinolin-2-yl)methanone has a molecular weight of 339.39 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-phenylmethoxyquinolin-2-yl)methanone is sourced from PubChem (CID 21478950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).